Regensburg 2019 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 51: Magnetism Poster B

MA 51.36: Poster

Donnerstag, 4. April 2019, 15:00–18:00, Poster C

spin-phonon coupling in FCC-Fe — •duo wang and biplab sanyal — Departmenf of Physics and Astronomy, Uppsala University, Uppsala, Sweden

Unlike BCC-Fe, some theoretical studies show that FCC-Fe is a weak magnet exhibiting magnetovolume instability and non collinear magnetic structures under compression. We performed ab initio calculations for studying the volume dependence of spin-spiral dispersion in FCC-Fe by plane wave projector augmented wave method. It is shown that at low volumes, the magnetic configuration corresponding to the ground state is a spin-spiral of q₂=2π/a (0.2,0,1), whereas for higher volumes, the ground state occurs for q₁=2π/a(0,0,0.6). Our results are very much consistent with the data from full-potential linearized augmented-plane-wave method (FP-APW+lo) study (Physical Review B, 2002, 66(1): 014447). Moreover, our calculations of phonon dispersion spectra for different collinear and non-collinear magnetic structures show a strong dependence of phonon frequencies on the magnetic structures indicating strong spin-phonon interactions.